N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide

C15H23NO2S — CID 103771543

IUPACN-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H23NO2S/c1-11(2)8-14(17)9-16-15(18)13-6-4-12(5-7-13)10-19-3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyVMBBFCVMNBQIQG-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.69
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide

N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 103771543) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID103771543
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H23NO2S/c1-11(2)8-14(17)9-16-15(18)13-6-4-12(5-7-13)10-19-3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyVMBBFCVMNBQIQG-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfanylmethyl)benzamide
CID 65031383
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110888923
methyl 4-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]pentanoate
CID 43404300
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
3-methoxy-4-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoic acid
CID 103153355
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
CID 104629610

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide (CID 103771543) is N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NCC(O)CC(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is VMBBFCVMNBQIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(2)8-14(17)9-16-15(18)13-6-4-12(5-7-13)10-19-3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide?
N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 281.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 103771543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).